Comparison of AdaBoost and Genetic Programming for combining Neural Networks for Drug Discovery

Created by W.Langdon from gp-bibliography.bib Revision:1.7650

@InProceedings{langdon:2003:evowks,

• title = "Comparison of {AdaBoost} and Genetic Programming for combining Neural Networks for Drug Discovery",
• author = "W. B. Langdon and S. J. Barrett and B. F. Buxton",
• booktitle = "Applications of Evolutionary Computing, EvoWorkshops2003: Evo{BIO}, Evo{COP}, Evo{IASP}, Evo{MUSART}, Evo{ROB}, Evo{STIM}",
• editor = "G{\"u}nther R. Raidl and Stefano Cagnoni and Juan Jes\'us Romero Cardalda and David W. Corne and Jens Gottlieb and Agn\`es Guillot and Emma Hart and Colin G. Johnson and Elena Marchiori and Jean-Arcady Meyer and Martin Middendorf",
• volume = "2611",
• series = "LNCS",
• pages = "87--98",
• address = "University of Essex, UK",
• publisher = "Springer-Verlag",
• publisher_address = "Berlin",
• month = "14-16 " # apr,
• organisation = "EvoNet",
• year = "2003",
• keywords = "genetic algorithms, genetic programming, adaboost, drug design, Receiver Operating Characteristics (ROC), ensemble of classifiers, data fusion, artificial neural networks, clementine, high through put screening (HTS)",
• isbn13 = "978-3-540-00976-4",
• URL = "http://www.cs.ucl.ac.uk/staff/W.Langdon/ftp/papers/wbl_evobio2003.pdf",
• URL = "http://www.cs.ucl.ac.uk/staff/W.Langdon/ftp/papers/wbl_evobio2003.ps.gz",
• DOI = "doi:10.1007/3-540-36605-9_9",
• size = "12 pages",
• abstract = "Genetic programming (GP) based data fusion and AdaBoost can both improve in vitro prediction of Cytochrome P450 activity by combining artificial neural networks (ANN). Pharmaceutical drug design data provided by high throughput screening (HTS) is used to train many base ANN classifiers. In data mining (KDD) we must avoid over fitting. The ensembles do extrapolate from the training data to other unseen molecules. I.e. they predict inhibition of a P450 enzyme by compounds unlike the chemicals used to train them. Thus the models might provide in silico screens of virtual chemicals as well as physical ones from GlaxoSmithKline (GSK)'s cheminformatics database. The receiver operating characteristics (ROC) of boosted and evolved ensemble are given.",
• notes = "Bagging, ensemble

  EvoWorkshops2003",

}

Genetic Programming entries for William B Langdon S J Barrett Bernard Buxton

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